Input 06-rdmft.03-gs_grid.inp

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-03 0.000000000000000e+00 PASS
RDMFT converged energy -1.176116731600000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.467986000000977e-04 PASS
RDMFT highest occupation number 1.946718817200000e+00 1.946806716954000e+00 1.000000000000000e-03 -8.789975399992045e-05 PASS
Compare to other inputs